Reverse Monte Carlo structural model for a zirconium-based metallic glass incorporating fluctuation microscopy medium-range order data
作者： Jinwoo Hwang , Anna M. Clausen , Hongbo Cao , Paul M. Voyles
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摘要: We used reverse Monte Carlo (RMC) modeling to simulate the atomic structure of a Zr-based bulk metallic glass (BMG), incorporating short-range structural data from electron diffraction total reduced density function G(r) and medium-range fluctuation microscopy (FEM). Including FEM created within model loosely ordered planar arrangements covering regions ∼1 nm in diameter without degrading agreement with G(r). RMC refinement against only produced no FEM. Improved simulations are needed create fully realistic BMG structures, but these results show that including further constrains compared alone signal real materials is likely arise pseudo-planar atoms.
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